4-[(2R)-5-oxopyrrolidin-2-yl]butanal

C8H13NO2 — CID 11423711

IUPAC4-[(2R)-5-oxopyrrolidin-2-yl]butanal
SMILESO=CCCC[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H13NO2/c10-6-2-1-3-7-4-5-8(11)9-7/h6-7H,1-5H2,(H,9,11)/t7-/m1/s1
InChIKeyZLLVHSXYEQNZOA-SSDOTTSWSA-N
MW155.20 g/mol
LogP0.63
Rot. Bonds4

About 4-[(2R)-5-oxopyrrolidin-2-yl]butanal

4-[(2R)-5-oxopyrrolidin-2-yl]butanal (PubChem CID 11423711) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-[(2R)-5-oxopyrrolidin-2-yl]butanal.

Molecular Properties

Compound Name4-[(2R)-5-oxopyrrolidin-2-yl]butanal
PubChem CID11423711
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-[(2R)-5-oxopyrrolidin-2-yl]butanal
SMILESO=CCCC[C@@H]1CCC(=O)N1
InChIInChI=1S/C8H13NO2/c10-6-2-1-3-7-4-5-8(11)9-7/h6-7H,1-5H2,(H,9,11)/t7-/m1/s1
InChIKeyZLLVHSXYEQNZOA-SSDOTTSWSA-N
XLogP0.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-5-oxopyrrolidin-2-yl]butanal?
The IUPAC name of 4-[(2R)-5-oxopyrrolidin-2-yl]butanal (CID 11423711) is 4-[(2R)-5-oxopyrrolidin-2-yl]butanal.
What is the SMILES notation for 4-[(2R)-5-oxopyrrolidin-2-yl]butanal?
The canonical SMILES for 4-[(2R)-5-oxopyrrolidin-2-yl]butanal is O=CCCC[C@@H]1CCC(=O)N1.
What is the InChIKey of 4-[(2R)-5-oxopyrrolidin-2-yl]butanal?
The InChIKey is ZLLVHSXYEQNZOA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO2/c10-6-2-1-3-7-4-5-8(11)9-7/h6-7H,1-5H2,(H,9,11)/t7-/m1/s1.
What are the key properties of 4-[(2R)-5-oxopyrrolidin-2-yl]butanal?
4-[(2R)-5-oxopyrrolidin-2-yl]butanal has a molecular weight of 155.20 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-5-oxopyrrolidin-2-yl]butanal is sourced from PubChem (CID 11423711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).